2019 AIChE Annual Meeting

Session: Fundamentals of Computational and Experimental Catalysis

Broad session focused on fundamental aspects of catalysis, catalytic kinetics, and surface chemistry.

Chair

Neeraj Rai, Mississippi State University

Co-Chair

Praveen Bollini, University of Houston

Presentations

03:30 PM

(406a) Operando Surface Enhanced Raman Spectroscopy Study of the Oxygen Reduction Reaction on a Non-Model Pt Catalyst
Suljo Linic, Sean T. Dix

03:48 PM

(406b) Comparative Analysis of HxWO3 Bronze Formation through Thermochemical and Electrochemical Routes
Evan Miu, Giannis Mpourmpakis, James R. McKone

04:06 PM

(560ck) pH Effects in the Hydrogen Oxidation Reaction: A DFT/MD Approach to Understand Adsorbed Hydroxyl on Platinum
Yushan Yan, Jon Wilson, Stavros Caratzoulas, Dionisios G. Vlachos

04:24 PM

(406d) Probing Hydroxyl Groups on Metal-Supported 2-D Silica Films
Angela M. Norton, Jorge Boscoboinik, Dionisios G. Vlachos, Weiqing Zheng, Michael Tsapatsis

04:42 PM

(406e) Ab Initio Population Balance Model of TiCl4 Grafting on Amorphous Silica
Salman Khan, Baron Peters, Susannah L. Scott

05:00 PM

(406f) Acceleration of Methanol Dehydration in H-SSZ-13 By Acid Site Proximity
John Di Iorio, Alexander Hoffman, Steven V. Nystrom, Claire Nimlos, Rajamani Gounder, David Hibbitts

05:18 PM

(406g) Oxidant-Free Dehydrogenation of 2,3-Butanediol to 3-Hydroxy Butanone on Metal Catalysts: A Combined Experimental and Computational Study
Kelvin Mingyao Kwok, Jithin John Varghese, Tanachaporn Panyathanakun, Daniel Sze Wei Ong, Samir H. Mushrif, Luwei Chen, Armando Borgna

05:36 PM

(406h) Automated Microscopic Reaction Path Analysis of Methane Dehydrogenation on Ptsn Catalysts
Tibor Szilvási, Duygu Gerceker, Benjamin Wei Jie Chen, Manos Mavrikakis